REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1o3d_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.179 4.170 0.015 0.000 0.288 16 I C 0.000 176.104 176.117 -0.022 0.000 1.063 16 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 16 I CB 0.000 37.957 38.000 -0.072 0.000 1.214 17 V N 5.502 125.415 119.914 -0.002 0.000 2.435 17 V HA 0.256 4.495 4.120 -0.020 -0.130 0.290 17 V C 0.577 176.670 176.094 -0.002 0.000 1.030 17 V CA -1.646 60.651 62.300 -0.006 0.000 0.881 17 V CB 1.418 33.243 31.823 0.005 0.000 0.983 17 V HN 0.883 9.086 8.190 0.020 0.000 0.445 18 G N 6.800 115.594 108.800 -0.010 0.000 2.179 18 G HA2 -0.398 3.555 3.960 -0.012 0.000 0.257 18 G HA3 -0.398 3.723 3.960 -0.029 -0.178 0.257 18 G C -0.658 174.247 174.900 0.008 0.000 1.010 18 G CA 0.568 45.660 45.100 -0.013 0.000 0.736 18 G HN 0.796 9.078 8.290 -0.014 0.000 0.513 19 G N -1.139 107.663 108.800 0.003 0.000 2.702 19 G HA2 0.493 4.482 3.960 0.082 0.000 0.254 19 G HA3 0.493 4.488 3.960 -0.099 -0.095 0.254 19 G C -1.738 173.199 174.900 0.062 0.000 1.380 19 G CA -1.041 44.060 45.100 0.003 0.000 1.042 19 G HN -0.662 7.586 8.290 -0.016 0.033 0.557 20 Y N -6.201 114.079 120.300 -0.034 0.000 2.638 20 Y HA 0.389 4.921 4.550 -0.030 0.000 0.339 20 Y C -1.792 174.081 175.900 -0.044 0.000 1.084 20 Y CA -2.844 55.236 58.100 -0.034 0.000 1.068 20 Y CB 1.155 39.599 38.460 -0.028 0.000 1.294 20 Y HN 0.338 8.149 8.280 -0.607 0.105 0.480 21 T N 2.852 117.456 114.554 0.083 0.000 2.799 21 T HA 0.050 4.469 4.350 -0.100 -0.130 0.296 21 T C -0.028 174.688 174.700 0.026 0.000 0.947 21 T CA 1.412 63.509 62.100 -0.005 0.000 1.141 21 T CB -0.274 68.620 68.868 0.042 0.000 0.891 21 T HN 0.125 8.470 8.240 0.174 0.000 0.533 22 c N 5.773 124.296 118.600 -0.128 0.000 2.413 22 c HA -0.172 4.388 4.570 -0.015 0.000 0.276 22 c C 0.398 174.504 174.090 0.027 0.000 1.248 22 c CA 0.962 57.247 56.329 -0.072 0.000 1.742 22 c CB -0.147 42.255 42.510 -0.181 0.000 2.017 22 c HN 0.241 8.344 8.230 -0.211 0.000 0.481 23 G N -2.136 106.665 108.800 0.002 0.000 2.742 23 G HA2 -0.173 3.802 3.960 0.025 0.000 0.686 23 G HA3 -0.173 3.805 3.960 0.030 0.000 0.686 23 G C -1.913 172.987 174.900 0.000 0.000 1.220 23 G CA -0.801 44.310 45.100 0.019 0.000 0.783 23 G HN -0.374 7.900 8.290 -0.026 0.000 0.646 24 A N 3.860 126.688 122.820 0.013 0.000 2.566 24 A HA -0.231 4.332 4.320 0.025 -0.228 0.245 24 A C -0.137 177.451 177.584 0.007 0.000 1.056 24 A CA 1.104 53.152 52.037 0.018 0.000 0.757 24 A CB 0.044 19.061 19.000 0.028 0.000 0.979 24 A HN 0.322 8.484 8.150 0.020 0.000 0.508 25 N N -2.442 116.260 118.700 0.002 0.000 2.714 25 N HA -0.375 4.354 4.740 -0.018 0.000 0.250 25 N C 0.359 175.848 175.510 -0.035 0.000 1.117 25 N CA 1.593 54.635 53.050 -0.013 0.000 0.719 25 N CB -1.036 37.455 38.487 0.006 0.000 1.081 25 N HN 0.549 8.937 8.380 0.014 0.000 0.557 26 T N -3.658 110.867 114.554 -0.049 0.000 3.100 26 T HA 0.016 4.354 4.350 -0.019 0.000 0.253 26 T C -0.068 174.574 174.700 -0.096 0.000 1.118 26 T CA 2.012 64.087 62.100 -0.042 0.000 1.058 26 T CB 0.479 69.337 68.868 -0.016 0.000 0.953 26 T HN -0.523 7.654 8.240 -0.052 0.032 0.515 27 V N 2.215 122.012 119.914 -0.196 0.000 2.320 27 V HA 0.369 4.221 4.120 -0.447 0.000 0.257 27 V C -1.544 174.237 176.094 -0.523 0.000 0.996 27 V CA -3.341 58.687 62.300 -0.455 0.000 0.928 27 V CB 0.663 32.205 31.823 -0.469 0.000 1.169 27 V HN -0.537 7.486 8.190 -0.165 0.068 0.475 28 P HA 0.056 4.509 4.420 -0.094 -0.090 0.230 28 P C -0.022 177.229 177.300 -0.081 0.000 1.158 28 P CA 1.546 64.567 63.100 -0.131 0.000 0.769 28 P CB 0.087 31.784 31.700 -0.005 0.000 0.807 29 Y N -6.178 114.147 120.300 0.042 0.000 2.457 29 Y HA 0.503 5.221 4.550 0.056 -0.134 0.263 29 Y C -0.591 175.345 175.900 0.061 0.000 1.164 29 Y CA -3.192 54.938 58.100 0.051 0.000 1.274 29 Y CB -1.153 37.333 38.460 0.043 0.000 1.097 29 Y HN -0.406 7.232 8.280 -0.967 0.061 0.523 30 Q N 2.839 122.514 119.800 -0.209 0.000 2.313 30 Q HA 0.194 4.727 4.340 0.093 -0.137 0.266 30 Q C -0.310 175.772 176.000 0.137 0.000 0.989 30 Q CA 0.107 55.893 55.803 -0.028 0.000 0.890 30 Q CB 1.029 29.645 28.738 -0.203 0.000 1.200 30 Q HN -0.633 7.168 8.270 -0.504 0.167 0.396 31 V N 1.603 121.636 119.914 0.198 0.000 3.074 31 V HA 0.824 5.176 4.120 0.192 -0.116 0.314 31 V C -2.031 174.212 176.094 0.248 0.000 1.117 31 V CA -2.863 59.549 62.300 0.186 0.000 1.014 31 V CB 3.955 35.837 31.823 0.098 0.000 1.057 31 V HN 0.224 8.527 8.190 0.189 0.000 0.438 32 S N 0.452 116.202 115.700 0.084 0.000 2.473 32 S HA 0.475 5.182 4.470 0.207 -0.112 0.307 32 S C -1.119 173.360 174.600 -0.201 0.000 1.094 32 S CA -1.990 56.200 58.200 -0.017 0.000 1.070 32 S CB 1.901 64.875 63.200 -0.377 0.000 1.019 32 S HN 0.123 8.441 8.310 0.014 0.000 0.480 33 L N 6.851 127.826 121.223 -0.414 0.000 2.275 33 L HA 0.516 4.759 4.340 -0.368 -0.123 0.288 33 L C -1.602 174.801 176.870 -0.777 0.000 1.046 33 L CA -0.826 53.638 54.840 -0.627 0.000 0.805 33 L CB 0.878 42.367 42.059 -0.951 0.000 1.193 33 L HN 0.812 8.764 8.230 -0.463 0.000 0.426 38 G N 0.097 108.808 108.800 -0.148 0.000 2.176 38 G HA2 -0.330 3.622 3.960 -0.013 0.000 0.232 38 G HA3 -0.330 3.696 3.960 0.109 0.000 0.232 38 G C -1.756 173.236 174.900 0.154 0.000 0.986 38 G CA 0.604 45.720 45.100 0.026 0.000 0.643 38 G HN 0.175 8.703 8.290 -0.186 -0.350 0.522 39 Y N -6.222 114.054 120.300 -0.040 0.000 2.732 39 Y HA 0.219 4.732 4.550 -0.062 0.000 0.342 39 Y C -2.691 173.207 175.900 -0.003 0.000 1.203 39 Y CA -3.485 54.593 58.100 -0.038 0.000 1.092 39 Y CB 0.334 38.769 38.460 -0.041 0.000 1.345 39 Y HN -0.796 7.290 8.280 -0.359 -0.021 0.458 40 H N 2.208 121.227 119.070 -0.084 0.000 2.690 40 H HA 0.057 4.568 4.556 -0.352 -0.166 0.314 40 H C -0.745 174.566 175.328 -0.028 0.000 1.069 40 H CA 0.004 55.929 56.048 -0.204 0.000 1.436 40 H CB 0.454 30.083 29.762 -0.221 0.000 1.462 40 H HN 0.200 8.582 8.280 0.171 0.000 0.511 41 F N 1.415 120.939 119.950 -0.710 0.000 2.778 41 F HA 0.281 4.722 4.527 -0.144 0.000 0.314 41 F C -2.027 173.524 175.800 -0.416 0.000 1.073 41 F CA -0.576 57.194 58.000 -0.384 0.000 1.218 41 F CB 1.629 40.477 39.000 -0.254 0.000 1.037 41 F HN -0.146 7.445 8.300 -1.181 0.000 0.594 42 c N -1.631 116.267 118.600 -1.169 0.000 3.321 42 c HA 0.373 4.801 4.570 -0.237 0.000 0.329 42 c C -1.631 172.243 174.090 -0.359 0.000 1.394 42 c CA -0.281 55.712 56.329 -0.561 0.000 1.291 42 c CB 4.093 46.353 42.510 -0.416 0.000 1.606 42 c HN -0.817 6.391 8.230 -1.703 0.000 0.463 43 G N -0.990 107.796 108.800 -0.023 0.000 2.705 43 G HA2 0.811 5.071 3.960 0.246 0.000 0.299 43 G HA3 0.811 4.898 3.960 0.213 0.000 0.299 43 G C -2.515 172.410 174.900 0.041 0.000 1.315 43 G CA -1.635 43.551 45.100 0.143 0.000 1.045 43 G HN 0.818 9.101 8.290 -0.012 0.000 0.517 44 G N -4.030 104.829 108.800 0.098 0.000 2.495 44 G HA2 0.513 4.806 3.960 0.074 0.000 0.294 44 G HA3 0.513 4.507 3.960 0.057 0.000 0.294 44 G C -2.907 172.078 174.900 0.142 0.000 1.397 44 G CA 0.335 45.486 45.100 0.085 0.000 0.790 44 G HN -0.612 7.771 8.290 0.154 0.000 0.486 45 S N -0.499 115.289 115.700 0.147 0.000 2.557 45 S HA 0.806 5.644 4.470 0.271 -0.205 0.291 45 S C -1.323 173.380 174.600 0.171 0.000 1.116 45 S CA -0.845 57.474 58.200 0.199 0.000 0.992 45 S CB 3.775 67.073 63.200 0.163 0.000 1.028 45 S HN 0.312 8.695 8.310 0.122 0.000 0.484 46 L N 6.309 127.651 121.223 0.197 0.000 2.313 46 L HA 0.159 4.699 4.340 0.148 -0.111 0.282 46 L C -0.713 176.242 176.870 0.141 0.000 1.092 46 L CA -0.116 54.821 54.840 0.162 0.000 0.831 46 L CB 1.000 43.155 42.059 0.159 0.000 1.159 46 L HN 0.507 8.786 8.230 0.261 0.108 0.442 47 I N 0.285 120.935 120.570 0.133 0.000 4.070 47 I HA 0.502 4.866 4.170 0.064 -0.155 0.328 47 I C -0.920 175.254 176.117 0.095 0.000 1.298 47 I CA -0.587 60.768 61.300 0.091 0.000 1.173 47 I CB 0.811 38.853 38.000 0.071 0.000 1.051 47 I HN 0.374 8.680 8.210 0.161 0.000 0.409 48 N N -2.239 116.541 118.700 0.133 0.000 3.179 48 N HA 0.160 4.957 4.740 0.095 0.000 0.250 48 N C -0.623 174.967 175.510 0.133 0.000 1.507 48 N CA -0.604 52.523 53.050 0.127 0.000 0.883 48 N CB 0.735 39.308 38.487 0.143 0.000 1.435 48 N HN -0.914 7.561 8.380 0.158 0.000 0.532 49 S N -3.588 112.178 115.700 0.109 0.000 2.547 49 S HA -0.300 4.214 4.470 0.073 0.000 0.235 49 S C 0.750 175.384 174.600 0.058 0.000 0.980 49 S CA 2.657 60.904 58.200 0.078 0.000 0.941 49 S CB -0.138 63.096 63.200 0.056 0.000 0.763 49 S HN 0.375 8.747 8.310 0.102 0.000 0.532 50 Q N -0.471 119.379 119.800 0.083 0.000 2.140 50 Q HA 0.339 4.624 4.340 -0.091 0.000 0.227 50 Q C -2.165 173.716 176.000 -0.198 0.000 0.798 50 Q CA -0.362 55.396 55.803 -0.074 0.000 0.987 50 Q CB 2.754 31.420 28.738 -0.120 0.000 1.161 50 Q HN 0.108 8.791 8.270 0.179 -0.305 0.480 51 W N -2.179 119.128 121.300 0.012 0.000 2.915 51 W HA 0.715 5.582 4.660 0.009 -0.201 0.337 51 W C -1.535 174.998 176.519 0.023 0.000 1.102 51 W CA -1.098 56.253 57.345 0.010 0.000 1.224 51 W CB 3.819 33.276 29.460 -0.006 0.000 1.416 51 W HN -0.311 8.153 8.180 0.261 -0.127 0.503 52 V N 0.999 121.076 119.914 0.270 0.000 2.769 52 V HA 0.804 5.208 4.120 0.172 -0.180 0.312 52 V C -1.442 174.768 176.094 0.193 0.000 1.061 52 V CA -1.760 60.650 62.300 0.182 0.000 0.931 52 V CB 3.656 35.543 31.823 0.108 0.000 1.010 52 V HN 0.859 9.221 8.190 0.287 0.000 0.433 53 V N 5.492 125.495 119.914 0.149 0.000 2.555 53 V HA 0.741 5.123 4.120 0.156 -0.169 0.302 53 V C -1.284 174.869 176.094 0.097 0.000 1.038 53 V CA -1.186 61.194 62.300 0.133 0.000 0.887 53 V CB 2.228 34.121 31.823 0.117 0.000 0.991 53 V HN 0.562 8.834 8.190 0.137 0.000 0.434 54 S N 4.421 120.167 115.700 0.076 0.000 2.973 54 S HA 0.556 5.255 4.470 0.034 -0.209 0.317 54 S C -2.052 172.543 174.600 -0.009 0.000 1.196 54 S CA -2.556 55.661 58.200 0.029 0.000 0.894 54 S CB 2.495 65.699 63.200 0.007 0.000 1.292 54 S HN 0.717 9.084 8.310 0.094 0.000 0.614 55 A N -0.561 122.215 122.820 -0.073 0.000 2.306 55 A HA 0.439 4.854 4.320 -0.098 -0.155 0.314 55 A C 0.584 178.057 177.584 -0.185 0.000 1.164 55 A CA -1.573 50.381 52.037 -0.138 0.000 0.822 55 A CB 1.577 20.439 19.000 -0.230 0.000 1.130 55 A HN 0.256 8.353 8.150 -0.088 0.000 0.496 56 A N 4.981 127.641 122.820 -0.266 0.000 1.972 56 A HA -0.260 3.918 4.320 -0.237 0.000 0.219 56 A C 1.281 178.635 177.584 -0.383 0.000 1.169 56 A CA 2.889 54.652 52.037 -0.457 0.000 0.635 56 A CB -0.388 17.955 19.000 -1.095 0.000 0.810 56 A HN 0.626 8.640 8.150 -0.247 -0.012 0.446 57 H N -5.117 113.789 119.070 -0.274 0.000 2.556 57 H HA -0.049 4.520 4.556 0.021 0.000 0.268 57 H C 0.104 175.480 175.328 0.079 0.000 0.996 57 H CA 1.306 57.347 56.048 -0.011 0.000 1.157 57 H CB -1.069 28.762 29.762 0.115 0.000 1.355 57 H HN -0.016 8.440 8.280 -0.176 -0.281 0.597 58 c N -1.673 116.857 118.600 -0.115 0.000 2.791 58 c HA 0.032 4.676 4.570 0.123 0.000 0.270 58 c C 0.316 174.493 174.090 0.146 0.000 1.257 58 c CA 0.001 56.357 56.329 0.045 0.000 1.699 58 c CB -1.536 40.967 42.510 -0.012 0.000 1.904 58 c HN -0.235 7.690 8.230 -0.187 0.193 0.603 59 Y N 2.996 123.299 120.300 0.004 0.000 2.712 59 Y HA -0.261 4.309 4.550 0.032 0.000 0.333 59 Y C -1.092 174.788 175.900 -0.033 0.000 1.225 59 Y CA 2.077 60.180 58.100 0.005 0.000 1.499 59 Y CB 0.779 39.230 38.460 -0.016 0.000 1.288 59 Y HN -0.553 7.644 8.280 0.161 0.180 0.575 60 K N 6.067 125.747 120.400 -1.199 0.000 2.711 60 K HA 0.182 4.068 4.320 -0.723 0.000 0.294 60 K C -2.338 173.758 176.600 -0.840 0.000 1.037 60 K CA -0.888 54.882 56.287 -0.862 0.000 0.858 60 K CB 2.410 34.567 32.500 -0.571 0.000 1.521 60 K HN -0.145 7.289 8.250 -1.360 0.000 0.386 61 S N -0.003 115.415 115.700 -0.470 0.000 2.687 61 S HA 0.141 4.438 4.470 -0.289 0.000 0.283 61 S C 0.797 175.268 174.600 -0.214 0.000 1.170 61 S CA -0.226 57.809 58.200 -0.275 0.000 1.008 61 S CB 1.198 64.325 63.200 -0.122 0.000 1.026 61 S HN -0.152 7.949 8.310 -0.349 0.000 0.541 62 G N -0.045 108.669 108.800 -0.143 0.000 2.248 62 G HA2 -0.171 3.737 3.960 -0.086 0.000 0.263 62 G HA3 -0.171 3.718 3.960 -0.118 0.000 0.263 62 G C -1.468 173.363 174.900 -0.115 0.000 1.082 62 G CA 0.095 45.127 45.100 -0.115 0.000 0.863 62 G HN 0.313 8.533 8.290 -0.116 0.000 0.495 63 I N -1.186 119.327 120.570 -0.095 0.000 2.353 63 I HA 0.115 4.405 4.170 -0.002 -0.121 0.293 63 I C -1.668 174.409 176.117 -0.067 0.000 0.992 63 I CA -0.856 60.418 61.300 -0.043 0.000 1.268 63 I CB 0.935 38.931 38.000 -0.005 0.000 1.387 63 I HN -0.490 7.661 8.210 -0.100 0.000 0.478 64 Q N 7.108 126.853 119.800 -0.092 0.000 3.106 64 Q HA 0.569 4.946 4.340 -0.091 -0.092 0.247 64 Q C -1.659 174.247 176.000 -0.157 0.000 1.033 64 Q CA -1.952 53.776 55.803 -0.125 0.000 0.888 64 Q CB 4.331 32.961 28.738 -0.180 0.000 1.586 64 Q HN 0.580 8.798 8.270 -0.086 0.000 0.482 65 R N -2.586 117.846 120.500 -0.114 0.000 3.321 65 R HA 0.400 4.981 4.340 0.109 -0.175 0.285 65 R C -1.393 174.939 176.300 0.052 0.000 1.149 65 R CA 0.053 56.127 56.100 -0.044 0.000 1.191 65 R CB 2.250 32.380 30.300 -0.284 0.000 1.276 65 R HN 0.611 8.799 8.270 -0.137 0.000 0.429 70 E N -0.357 119.938 120.200 0.160 0.000 2.283 70 E HA 0.114 4.541 4.350 0.129 0.000 0.271 70 E C -1.824 174.957 176.600 0.302 0.000 1.031 70 E CA 0.312 56.822 56.400 0.183 0.000 0.868 70 E CB 1.482 31.228 29.700 0.075 0.000 1.094 70 E HN -0.618 7.818 8.360 0.182 0.033 0.401 71 D N 1.114 121.666 120.400 0.254 0.000 2.957 71 D HA 0.058 4.909 4.640 0.351 0.000 0.175 71 D C -1.071 175.415 176.300 0.311 0.000 1.502 71 D CA 1.041 55.205 54.000 0.273 0.000 1.524 71 D CB 2.482 43.360 40.800 0.131 0.000 1.300 71 D HN 0.110 8.579 8.370 0.166 0.000 0.241 72 N N 1.015 119.810 118.700 0.159 0.000 2.401 72 N HA 0.140 5.094 4.740 0.160 -0.117 0.255 72 N C 2.132 177.645 175.510 0.005 0.000 1.110 72 N CA -0.400 52.715 53.050 0.108 0.000 0.949 72 N CB 0.490 39.018 38.487 0.068 0.000 1.110 72 N HN -0.481 8.255 8.380 0.119 -0.284 0.490 73 I N 0.212 120.699 120.570 -0.138 0.000 3.291 73 I HA -0.062 4.104 4.170 -0.270 -0.158 0.279 73 I C -0.339 175.694 176.117 -0.141 0.000 1.294 73 I CA 1.260 62.381 61.300 -0.299 0.000 1.428 73 I CB -0.655 36.920 38.000 -0.709 0.000 1.070 73 I HN 0.538 8.680 8.210 -0.113 0.000 0.478 74 N N -2.259 116.405 118.700 -0.061 0.000 2.205 74 N HA 0.125 4.850 4.740 -0.025 0.000 0.201 74 N C -0.905 174.612 175.510 0.011 0.000 1.128 74 N CA 0.069 53.108 53.050 -0.018 0.000 0.867 74 N CB 2.012 40.498 38.487 -0.003 0.000 0.996 74 N HN -0.034 8.601 8.380 -0.042 -0.280 0.503 75 V N 0.276 120.201 119.914 0.019 0.000 2.656 75 V HA 0.047 4.183 4.120 0.026 0.000 0.307 75 V C -1.408 174.705 176.094 0.032 0.000 1.051 75 V CA -1.084 61.232 62.300 0.027 0.000 0.893 75 V CB 3.201 35.038 31.823 0.024 0.000 0.999 75 V HN -0.846 7.394 8.190 0.011 -0.044 0.426 76 V N 7.437 127.365 119.914 0.023 0.000 2.389 76 V HA -0.152 4.203 4.120 0.009 -0.229 0.264 76 V C 0.104 176.191 176.094 -0.011 0.000 1.049 76 V CA 0.502 62.800 62.300 -0.003 0.000 0.932 76 V CB -0.097 31.700 31.823 -0.043 0.000 1.011 76 V HN 0.290 8.491 8.190 0.020 0.000 0.475 77 E N 7.948 128.144 120.200 -0.006 0.000 2.473 77 E HA 0.131 4.479 4.350 -0.002 0.000 0.204 77 E C -0.198 176.394 176.600 -0.013 0.000 0.994 77 E CA -0.394 56.005 56.400 -0.002 0.000 0.945 77 E CB 0.763 30.474 29.700 0.017 0.000 0.990 77 E HN 0.289 9.081 8.360 -0.001 -0.433 0.493 78 G N 0.028 108.809 108.800 -0.030 0.000 2.539 78 G HA2 -0.224 3.699 3.960 -0.062 0.000 0.686 78 G HA3 -0.224 3.719 3.960 -0.028 0.000 0.686 78 G C -1.718 173.165 174.900 -0.028 0.000 1.258 78 G CA -0.725 44.352 45.100 -0.039 0.000 0.846 78 G HN -0.452 8.080 8.290 -0.039 -0.265 0.647 79 N N -4.016 114.663 118.700 -0.036 0.000 2.980 79 N HA -0.283 4.445 4.740 -0.020 0.000 0.213 79 N C -0.914 174.584 175.510 -0.020 0.000 0.892 79 N CA 1.342 54.381 53.050 -0.018 0.000 1.025 79 N CB -0.255 38.235 38.487 0.006 0.000 1.030 79 N HN 0.157 8.507 8.380 -0.049 0.000 0.585 80 E N -1.011 119.157 120.200 -0.054 0.000 2.383 80 E HA 0.128 4.739 4.350 0.040 -0.237 0.264 80 E C -0.143 176.387 176.600 -0.117 0.000 1.050 80 E CA 0.781 57.147 56.400 -0.057 0.000 0.896 80 E CB 0.466 30.066 29.700 -0.166 0.000 0.982 80 E HN -0.194 8.018 8.360 -0.074 0.103 0.424 81 Q N 1.527 121.332 119.800 0.008 0.000 2.285 81 Q HA 0.273 4.565 4.340 -0.081 0.000 0.269 81 Q C -1.594 174.560 176.000 0.257 0.000 1.030 81 Q CA -1.158 54.658 55.803 0.022 0.000 0.788 81 Q CB 3.162 31.924 28.738 0.039 0.000 1.266 81 Q HN 0.280 8.627 8.270 0.128 0.000 0.438 82 F N 3.481 123.412 119.950 -0.032 0.000 2.402 82 F HA 0.462 5.138 4.527 -0.047 -0.177 0.355 82 F C -0.246 175.531 175.800 -0.039 0.000 1.123 82 F CA -2.877 55.099 58.000 -0.041 0.000 1.021 82 F CB 1.055 40.029 39.000 -0.044 0.000 1.160 82 F HN 0.385 8.738 8.300 0.088 0.000 0.451 83 I N 3.966 124.606 120.570 0.117 0.000 2.582 83 I HA 0.247 4.444 4.170 0.045 0.000 0.292 83 I C -1.381 174.732 176.117 -0.006 0.000 1.066 83 I CA -1.419 59.905 61.300 0.040 0.000 1.053 83 I CB 4.078 42.088 38.000 0.017 0.000 1.241 83 I HN 0.875 9.138 8.210 0.087 0.000 0.421 84 S N 5.347 121.036 115.700 -0.018 0.000 2.592 84 S HA 0.086 4.526 4.470 -0.049 0.000 0.271 84 S C -0.450 174.114 174.600 -0.059 0.000 1.326 84 S CA 0.658 58.834 58.200 -0.041 0.000 1.024 84 S CB 1.021 64.200 63.200 -0.036 0.000 0.921 84 S HN 0.427 8.732 8.310 -0.009 0.000 0.527 85 A N 3.532 126.314 122.820 -0.064 0.000 2.401 85 A HA 0.155 4.520 4.320 -0.098 -0.103 0.259 85 A C -0.248 177.288 177.584 -0.081 0.000 1.103 85 A CA -0.208 51.782 52.037 -0.078 0.000 0.789 85 A CB 0.520 19.485 19.000 -0.057 0.000 1.035 85 A HN -0.137 7.977 8.150 -0.060 0.000 0.491 86 S N 3.540 119.171 115.700 -0.115 0.000 2.421 86 S HA 0.033 4.460 4.470 -0.071 0.000 0.224 86 S C 0.369 174.927 174.600 -0.070 0.000 1.035 86 S CA 1.429 59.570 58.200 -0.099 0.000 0.953 86 S CB 0.860 63.977 63.200 -0.138 0.000 0.810 86 S HN 0.803 8.895 8.310 -0.163 0.121 0.497 87 K N -0.175 120.177 120.400 -0.081 0.000 2.568 87 K HA 0.267 4.606 4.320 0.032 0.000 0.273 87 K C -2.388 174.236 176.600 0.039 0.000 0.951 87 K CA -0.485 55.801 56.287 -0.002 0.000 0.854 87 K CB 3.362 35.868 32.500 0.010 0.000 1.424 87 K HN -0.769 7.396 8.250 -0.141 0.000 0.427 88 S N 1.369 117.151 115.700 0.136 0.000 2.502 88 S HA 0.746 5.494 4.470 0.174 -0.173 0.304 88 S C -0.800 173.927 174.600 0.211 0.000 1.097 88 S CA -0.476 57.849 58.200 0.208 0.000 1.045 88 S CB 2.620 66.015 63.200 0.326 0.000 1.019 88 S HN 0.192 8.597 8.310 0.159 0.000 0.481 89 I N 7.408 128.111 120.570 0.221 0.000 2.437 89 I HA 0.116 4.373 4.170 0.145 0.000 0.279 89 I C -1.565 174.692 176.117 0.233 0.000 1.028 89 I CA -0.822 60.601 61.300 0.205 0.000 1.142 89 I CB 1.463 39.598 38.000 0.226 0.000 1.266 89 I HN 1.012 9.265 8.210 0.249 0.106 0.461 90 V N 7.826 127.809 119.914 0.115 0.000 2.649 90 V HA -0.164 4.002 4.120 0.076 0.000 0.292 90 V C -0.262 175.915 176.094 0.138 0.000 1.055 90 V CA -0.490 61.847 62.300 0.061 0.000 1.023 90 V CB 0.911 32.673 31.823 -0.102 0.000 0.992 90 V HN 0.360 8.571 8.190 0.035 0.000 0.480 91 H N 8.768 127.827 119.070 -0.019 0.000 3.034 91 H HA -0.022 4.390 4.556 -0.240 0.000 0.324 91 H C -0.465 174.841 175.328 -0.037 0.000 1.015 91 H CA 0.347 56.263 56.048 -0.221 0.000 1.429 91 H CB 1.545 31.004 29.762 -0.504 0.000 1.429 91 H HN -0.252 8.073 8.280 0.076 0.000 0.585 92 P HA -0.109 4.319 4.420 0.014 0.000 0.219 92 P C -0.421 176.924 177.300 0.074 0.000 1.146 92 P CA 1.448 64.521 63.100 -0.046 0.000 0.808 92 P CB 0.330 31.980 31.700 -0.084 0.000 0.779 93 S N -3.566 112.280 115.700 0.242 0.000 2.583 93 S HA 0.044 4.572 4.470 0.097 0.000 0.239 93 S C -0.637 174.064 174.600 0.169 0.000 0.966 93 S CA -0.030 58.291 58.200 0.201 0.000 0.973 93 S CB 0.359 63.676 63.200 0.194 0.000 0.794 93 S HN -0.429 8.104 8.310 0.430 0.034 0.463 94 Y N 3.752 124.101 120.300 0.083 0.000 2.526 94 Y HA -0.291 4.419 4.550 -0.037 -0.182 0.330 94 Y C -0.937 174.956 175.900 -0.011 0.000 1.156 94 Y CA 0.744 58.847 58.100 0.005 0.000 1.419 94 Y CB 0.841 39.309 38.460 0.013 0.000 1.250 94 Y HN -0.717 7.584 8.280 0.325 0.174 0.540 95 N N 7.417 125.741 118.700 -0.626 0.000 2.479 95 N HA 0.216 4.668 4.740 -0.479 0.000 0.261 95 N C -0.248 174.744 175.510 -0.864 0.000 0.979 95 N CA -1.291 51.412 53.050 -0.578 0.000 0.930 95 N CB 1.746 40.064 38.487 -0.282 0.000 1.172 95 N HN -0.124 8.011 8.380 -0.408 0.000 0.499 96 S N 6.819 122.013 115.700 -0.844 0.000 2.515 96 S HA -0.073 4.046 4.470 -0.586 0.000 0.231 96 S C 0.640 175.065 174.600 -0.293 0.000 0.987 96 S CA 2.219 60.100 58.200 -0.533 0.000 0.936 96 S CB -0.208 62.843 63.200 -0.249 0.000 0.766 96 S HN 0.627 8.535 8.310 -0.669 0.000 0.528 97 N N 2.088 120.618 118.700 -0.283 0.000 2.336 97 N HA 0.040 4.658 4.740 -0.203 0.000 0.177 97 N C 1.045 176.394 175.510 -0.268 0.000 1.018 97 N CA 2.287 55.202 53.050 -0.225 0.000 0.878 97 N CB 0.692 39.074 38.487 -0.175 0.000 0.997 97 N HN 0.274 8.693 8.380 -0.314 -0.228 0.433 98 T N -3.979 110.412 114.554 -0.271 0.000 3.014 98 T HA 0.071 4.219 4.350 -0.337 0.000 0.250 98 T C 0.173 174.680 174.700 -0.323 0.000 1.060 98 T CA 0.456 62.384 62.100 -0.286 0.000 1.040 98 T CB 1.732 70.489 68.868 -0.186 0.000 0.971 98 T HN -0.332 8.038 8.240 -0.268 -0.291 0.497 99 L N -3.650 117.422 121.223 -0.252 0.000 4.089 99 L HA -0.505 3.946 4.340 0.049 -0.082 0.408 99 L C -1.853 175.044 176.870 0.045 0.000 1.184 99 L CA 0.363 55.161 54.840 -0.069 0.000 0.947 99 L CB -2.711 39.256 42.059 -0.155 0.000 2.066 99 L HN -0.125 7.933 8.230 -0.286 0.000 0.851 100 N N -0.927 117.756 118.700 -0.028 0.000 2.518 100 N HA -0.150 4.634 4.740 0.073 0.000 0.266 100 N C 0.004 175.553 175.510 0.065 0.000 1.196 100 N CA 0.685 53.751 53.050 0.027 0.000 0.947 100 N CB 1.197 39.674 38.487 -0.018 0.000 1.098 100 N HN -0.704 7.562 8.380 -0.119 0.043 0.450 101 N N -0.852 117.880 118.700 0.054 0.000 2.756 101 N HA -0.467 4.189 4.740 -0.141 0.000 0.248 101 N C -1.405 174.084 175.510 -0.035 0.000 1.062 101 N CA 1.388 54.375 53.050 -0.104 0.000 0.696 101 N CB -1.518 36.800 38.487 -0.282 0.000 0.946 101 N HN 0.648 9.082 8.380 0.091 0.000 0.548 102 D N -0.994 119.428 120.400 0.036 0.000 2.608 102 D HA 0.058 4.697 4.640 -0.002 0.000 0.224 102 D C -1.665 174.551 176.300 -0.140 0.000 1.123 102 D CA -0.347 53.671 54.000 0.030 0.000 1.030 102 D CB -0.775 40.136 40.800 0.185 0.000 1.093 102 D HN -0.159 8.245 8.370 0.056 0.000 0.497 103 I N 2.166 122.594 120.570 -0.237 0.000 2.827 103 I HA 0.592 4.860 4.170 -0.121 -0.171 0.298 103 I C -3.073 173.009 176.117 -0.059 0.000 1.235 103 I CA -1.497 59.688 61.300 -0.191 0.000 1.021 103 I CB 4.121 41.873 38.000 -0.413 0.000 1.259 103 I HN -0.088 7.930 8.210 -0.249 0.042 0.427 104 M N 6.115 125.752 119.600 0.061 0.000 2.470 104 M HA 0.720 5.524 4.480 0.256 -0.170 0.285 104 M C -2.797 173.636 176.300 0.221 0.000 1.213 104 M CA -1.036 54.364 55.300 0.166 0.000 0.901 104 M CB 4.878 37.529 32.600 0.085 0.000 1.718 104 M HN 0.533 8.853 8.290 0.049 0.000 0.469 105 L N 2.596 123.985 121.223 0.277 0.000 2.334 105 L HA 0.885 5.553 4.340 0.260 -0.171 0.276 105 L C -1.314 175.748 176.870 0.320 0.000 1.014 105 L CA -1.507 53.510 54.840 0.295 0.000 0.815 105 L CB 3.324 45.535 42.059 0.253 0.000 1.268 105 L HN 0.403 8.819 8.230 0.309 0.000 0.428 106 I N 0.691 121.436 120.570 0.293 0.000 2.436 106 I HA 0.583 4.987 4.170 0.101 -0.174 0.289 106 I C -1.635 174.436 176.117 -0.078 0.000 1.010 106 I CA -1.373 59.994 61.300 0.111 0.000 1.098 106 I CB 3.204 41.240 38.000 0.059 0.000 1.266 106 I HN 0.961 9.369 8.210 0.330 0.000 0.434 107 K N 6.454 126.613 120.400 -0.402 0.000 2.159 107 K HA 0.679 4.357 4.320 -1.333 -0.158 0.266 107 K C -1.112 175.208 176.600 -0.467 0.000 0.975 107 K CA -1.932 53.774 56.287 -0.969 0.000 0.865 107 K CB 3.164 34.930 32.500 -1.223 0.000 1.087 107 K HN 0.748 8.849 8.250 -0.249 0.000 0.446 108 L N 4.283 125.257 121.223 -0.415 0.000 2.375 108 L HA 0.253 4.605 4.340 -0.165 -0.111 0.271 108 L C 1.767 178.520 176.870 -0.195 0.000 1.107 108 L CA -0.253 54.457 54.840 -0.218 0.000 0.806 108 L CB 0.540 42.512 42.059 -0.145 0.000 1.146 108 L HN 0.735 8.637 8.230 -0.546 0.000 0.447 109 K N 3.338 123.664 120.400 -0.125 0.000 2.063 109 K HA -0.332 3.925 4.320 -0.106 0.000 0.208 109 K C -0.595 175.956 176.600 -0.081 0.000 1.048 109 K CA 2.651 58.882 56.287 -0.094 0.000 0.928 109 K CB 0.365 32.829 32.500 -0.060 0.000 0.713 109 K HN 0.694 8.883 8.250 -0.103 0.000 0.442 110 S N -4.236 111.423 115.700 -0.068 0.000 2.627 110 S HA 0.116 4.555 4.470 -0.053 0.000 0.283 110 S C -1.795 172.776 174.600 -0.048 0.000 1.127 110 S CA -1.023 57.147 58.200 -0.050 0.000 0.863 110 S CB 2.683 65.866 63.200 -0.029 0.000 1.121 110 S HN -0.391 7.880 8.310 -0.065 0.000 0.479 111 A N -0.465 122.335 122.820 -0.033 0.000 2.407 111 A HA 0.118 4.571 4.320 -0.028 -0.150 0.248 111 A C -0.280 177.302 177.584 -0.003 0.000 1.082 111 A CA -0.085 51.942 52.037 -0.017 0.000 0.785 111 A CB 0.508 19.508 19.000 -0.001 0.000 1.020 111 A HN 0.214 8.348 8.150 -0.027 0.000 0.489 112 A N 1.118 123.943 122.820 0.009 0.000 2.304 112 A HA 0.208 4.607 4.320 0.015 -0.070 0.271 112 A C -0.549 177.048 177.584 0.022 0.000 1.091 112 A CA -1.315 50.733 52.037 0.019 0.000 0.812 112 A CB 1.465 20.485 19.000 0.034 0.000 1.056 112 A HN 0.430 8.477 8.150 0.012 0.110 0.489 113 S N 0.342 116.054 115.700 0.019 0.000 2.430 113 S HA 0.112 4.592 4.470 0.018 0.000 0.289 113 S C -0.542 174.073 174.600 0.025 0.000 1.143 113 S CA -0.501 57.710 58.200 0.018 0.000 1.067 113 S CB 0.548 63.753 63.200 0.009 0.000 0.964 113 S HN 0.074 8.753 8.310 0.018 -0.359 0.485 114 L N 6.061 127.302 121.223 0.030 0.000 2.334 114 L HA 0.226 4.714 4.340 0.042 -0.123 0.277 114 L C -0.498 176.390 176.870 0.030 0.000 1.075 114 L CA -0.308 54.555 54.840 0.037 0.000 0.804 114 L CB 0.609 42.695 42.059 0.044 0.000 1.174 114 L HN 0.237 8.484 8.230 0.028 0.000 0.438 115 N N 3.371 122.090 118.700 0.032 0.000 3.635 115 N HA 0.182 4.937 4.740 0.024 0.000 0.347 115 N C -1.305 174.223 175.510 0.030 0.000 1.596 115 N CA -0.562 52.503 53.050 0.026 0.000 0.778 115 N CB 1.027 39.525 38.487 0.019 0.000 2.436 115 N HN 0.537 8.832 8.380 0.038 0.109 0.569 116 S N -2.764 112.951 115.700 0.025 0.000 2.470 116 S HA -0.085 4.405 4.470 0.033 0.000 0.225 116 S C 0.567 175.182 174.600 0.026 0.000 1.006 116 S CA 2.244 60.460 58.200 0.027 0.000 0.934 116 S CB 0.241 63.454 63.200 0.021 0.000 0.778 116 S HN -0.027 8.296 8.310 0.021 0.000 0.517 117 R N -0.989 119.525 120.500 0.023 0.000 2.223 117 R HA 0.141 4.489 4.340 0.013 0.000 0.198 117 R C -1.126 175.189 176.300 0.025 0.000 0.984 117 R CA 0.133 56.244 56.100 0.019 0.000 1.018 117 R CB 0.945 31.255 30.300 0.017 0.000 0.945 117 R HN -0.063 8.468 8.270 0.022 -0.248 0.479 118 V N -1.822 118.113 119.914 0.035 0.000 2.443 118 V HA 0.276 4.618 4.120 0.049 -0.193 0.293 118 V C -2.162 173.970 176.094 0.063 0.000 1.021 118 V CA -1.072 61.257 62.300 0.049 0.000 0.848 118 V CB 2.620 34.471 31.823 0.047 0.000 0.998 118 V HN -0.302 8.151 8.190 0.034 -0.243 0.424 119 A N 6.730 129.604 122.820 0.089 0.000 2.587 119 A HA 0.576 4.947 4.320 0.086 0.000 0.293 119 A C -3.007 174.669 177.584 0.154 0.000 1.087 119 A CA -1.281 50.821 52.037 0.108 0.000 0.692 119 A CB 2.911 21.976 19.000 0.109 0.000 1.291 119 A HN 0.175 8.267 8.150 0.096 0.116 0.407 120 S N -1.286 114.489 115.700 0.125 0.000 2.693 120 S HA 0.500 5.207 4.470 0.163 -0.139 0.276 120 S C -0.405 174.250 174.600 0.092 0.000 1.192 120 S CA -1.215 57.060 58.200 0.125 0.000 0.994 120 S CB 1.526 64.779 63.200 0.088 0.000 1.012 120 S HN -0.023 8.345 8.310 0.097 0.000 0.550 121 I N 0.229 120.808 120.570 0.016 0.000 2.693 121 I HA 0.218 4.322 4.170 -0.111 0.000 0.303 121 I C -1.107 174.961 176.117 -0.082 0.000 1.025 121 I CA -1.476 59.739 61.300 -0.142 0.000 1.086 121 I CB 4.083 41.774 38.000 -0.514 0.000 1.268 121 I HN 0.053 8.286 8.210 0.038 0.000 0.440 122 S N 5.969 121.620 115.700 -0.083 0.000 2.584 122 S HA 0.245 4.699 4.470 -0.026 0.000 0.273 122 S C -0.584 173.988 174.600 -0.047 0.000 1.311 122 S CA -0.498 57.674 58.200 -0.046 0.000 1.034 122 S CB 0.809 63.988 63.200 -0.036 0.000 0.939 122 S HN 0.248 8.496 8.310 -0.104 0.000 0.513 123 L N 2.855 124.065 121.223 -0.021 0.000 2.418 123 L HA 0.172 4.511 4.340 -0.001 0.000 0.265 123 L C -1.250 175.617 176.870 -0.006 0.000 1.143 123 L CA -1.944 52.894 54.840 -0.003 0.000 0.809 123 L CB 0.137 42.202 42.059 0.011 0.000 1.124 123 L HN 0.224 8.444 8.230 -0.016 0.000 0.456 124 P HA 0.131 4.541 4.420 -0.017 0.000 0.276 124 P C -1.194 176.105 177.300 -0.001 0.000 1.252 124 P CA -0.729 62.368 63.100 -0.006 0.000 0.802 124 P CB 0.746 32.443 31.700 -0.006 0.000 1.035 128 c N 0.614 119.189 118.600 -0.041 0.000 2.580 128 c HA 0.044 4.578 4.570 -0.061 0.000 0.371 128 c C 0.062 174.094 174.090 -0.097 0.000 1.308 128 c CA -0.600 55.690 56.329 -0.065 0.000 2.428 128 c CB 0.360 42.836 42.510 -0.057 0.000 2.529 128 c HN -0.033 8.176 8.230 -0.035 0.000 0.657 129 A N 0.900 123.626 122.820 -0.157 0.000 2.279 129 A HA 0.085 4.331 4.320 -0.125 0.000 0.303 129 A C -0.947 176.532 177.584 -0.174 0.000 1.108 129 A CA -0.365 51.568 52.037 -0.173 0.000 0.830 129 A CB 1.240 20.096 19.000 -0.239 0.000 1.106 129 A HN 0.223 8.254 8.150 -0.198 0.000 0.493 133 G N 0.399 109.157 108.800 -0.071 0.000 2.253 133 G HA2 -0.293 3.632 3.960 -0.059 0.000 0.251 133 G HA3 -0.293 3.638 3.960 -0.049 0.000 0.251 133 G C 0.034 174.892 174.900 -0.069 0.000 0.998 133 G CA 0.336 45.399 45.100 -0.061 0.000 0.621 133 G HN 0.747 8.882 8.290 -0.074 0.110 0.524 134 T N 3.176 117.677 114.554 -0.089 0.000 2.928 134 T HA -0.206 4.103 4.350 -0.068 0.000 0.305 134 T C -1.120 173.530 174.700 -0.083 0.000 1.035 134 T CA 2.459 64.506 62.100 -0.088 0.000 1.145 134 T CB 0.656 69.452 68.868 -0.120 0.000 0.963 134 T HN -0.543 7.548 8.240 -0.103 0.087 0.545 135 Q N 5.684 125.450 119.800 -0.056 0.000 2.243 135 Q HA 0.220 4.652 4.340 -0.050 -0.122 0.252 135 Q C -0.917 175.062 176.000 -0.036 0.000 0.909 135 Q CA 0.145 55.925 55.803 -0.038 0.000 0.922 135 Q CB 1.655 30.387 28.738 -0.009 0.000 1.215 135 Q HN 0.183 8.424 8.270 -0.047 0.000 0.427 136 c N 3.232 121.812 118.600 -0.032 0.000 3.044 136 c HA 0.631 5.300 4.570 -0.019 -0.111 0.315 136 c C -1.917 172.178 174.090 0.008 0.000 1.320 136 c CA -1.598 54.715 56.329 -0.025 0.000 1.582 136 c CB 4.359 46.833 42.510 -0.059 0.000 2.039 136 c HN 0.893 8.990 8.230 -0.034 0.112 0.466 137 L N 0.887 122.123 121.223 0.022 0.000 2.333 137 L HA 0.925 5.489 4.340 0.054 -0.191 0.280 137 L C -2.183 174.704 176.870 0.029 0.000 1.004 137 L CA -1.382 53.486 54.840 0.047 0.000 0.820 137 L CB 3.271 45.379 42.059 0.082 0.000 1.247 137 L HN 0.664 8.796 8.230 0.016 0.107 0.416 138 I N 7.461 128.035 120.570 0.005 0.000 2.474 138 I HA 0.859 5.274 4.170 0.021 -0.232 0.294 138 I C -1.322 174.768 176.117 -0.046 0.000 1.005 138 I CA -1.512 59.788 61.300 -0.001 0.000 1.113 138 I CB 2.459 40.461 38.000 0.004 0.000 1.289 138 I HN 0.919 9.134 8.210 0.008 0.000 0.436 139 S N 2.579 118.245 115.700 -0.057 0.000 2.618 139 S HA 1.024 5.522 4.470 -0.220 -0.159 0.277 139 S C -1.143 173.341 174.600 -0.194 0.000 1.138 139 S CA -1.805 56.286 58.200 -0.182 0.000 0.844 139 S CB 3.755 66.811 63.200 -0.240 0.000 1.127 139 S HN -0.218 8.090 8.310 -0.004 0.000 0.474 140 G N -1.318 107.270 108.800 -0.354 0.000 2.321 140 G HA2 0.117 3.823 3.960 -0.422 0.000 0.298 140 G HA3 0.117 4.176 3.960 -0.062 -0.137 0.298 140 G C -2.272 172.406 174.900 -0.371 0.000 1.385 140 G CA 0.500 45.414 45.100 -0.309 0.000 0.856 140 G HN 0.207 8.228 8.290 -0.450 0.000 0.584 141 W N 1.129 122.378 121.300 -0.084 0.000 3.015 141 W HA 0.362 4.969 4.660 -0.088 0.000 0.429 141 W C -0.244 176.316 176.519 0.068 0.000 0.976 141 W CA -1.002 56.262 57.345 -0.135 0.000 2.086 141 W CB -0.027 29.137 29.460 -0.493 0.000 1.125 141 W HN 0.577 8.924 8.180 0.279 0.000 0.721 142 G N 0.745 109.713 108.800 0.281 0.000 2.588 142 G HA2 -0.015 4.271 3.960 0.534 0.000 0.281 142 G HA3 -0.015 4.267 3.960 0.252 -0.171 0.281 142 G C -1.013 173.943 174.900 0.092 0.000 1.236 142 G CA -0.842 44.444 45.100 0.311 0.000 0.969 142 G HN -0.505 8.040 8.290 0.171 -0.152 0.504 143 N N -0.481 118.156 118.700 -0.105 0.000 2.353 143 N HA -0.295 4.150 4.740 -0.800 -0.185 0.248 143 N C 0.877 176.280 175.510 -0.178 0.000 1.240 143 N CA 1.077 53.871 53.050 -0.428 0.000 0.862 143 N CB 0.629 38.864 38.487 -0.419 0.000 1.086 143 N HN 0.204 8.619 8.380 0.059 0.000 0.453 144 T N 0.367 114.815 114.554 -0.177 0.000 3.054 144 T HA 0.200 4.641 4.350 -0.062 -0.128 0.255 144 T C 0.166 174.824 174.700 -0.069 0.000 1.035 144 T CA 0.347 62.396 62.100 -0.086 0.000 0.941 144 T CB 1.369 70.201 68.868 -0.059 0.000 1.026 144 T HN 0.259 8.349 8.240 -0.249 0.000 0.533 145 K N 2.238 122.585 120.400 -0.090 0.000 2.259 145 K HA 0.280 4.579 4.320 -0.035 0.000 0.252 145 K C -0.571 176.005 176.600 -0.039 0.000 0.936 145 K CA -1.148 55.107 56.287 -0.053 0.000 0.810 145 K CB 2.659 35.128 32.500 -0.052 0.000 1.143 145 K HN -0.624 7.781 8.250 -0.141 -0.240 0.427 146 S N 0.428 116.119 115.700 -0.016 0.000 2.439 146 S HA -0.082 4.391 4.470 0.004 0.000 0.224 146 S C -0.010 174.594 174.600 0.006 0.000 1.029 146 S CA 1.785 59.986 58.200 0.001 0.000 0.946 146 S CB 0.885 64.091 63.200 0.011 0.000 0.797 146 S HN 0.113 8.416 8.310 -0.013 0.000 0.504 147 S N 1.979 117.680 115.700 0.001 0.000 2.328 147 S HA 0.200 4.678 4.470 0.012 0.000 0.204 147 S C -0.927 173.674 174.600 0.002 0.000 1.475 147 S CA -0.262 57.942 58.200 0.006 0.000 1.148 147 S CB -0.346 62.859 63.200 0.008 0.000 1.077 147 S HN -0.441 7.867 8.310 -0.004 0.000 0.479 148 G N 1.233 110.034 108.800 0.000 0.000 2.353 148 G HA2 -0.173 3.794 3.960 0.013 0.000 0.424 148 G HA3 -0.173 3.785 3.960 -0.002 0.000 0.424 148 G C -2.750 172.137 174.900 -0.022 0.000 1.320 148 G CA -0.558 44.542 45.100 -0.000 0.000 0.995 148 G HN -0.480 7.812 8.290 0.003 0.000 0.580 149 T N -3.406 111.141 114.554 -0.012 0.000 2.809 149 T HA 0.119 4.505 4.350 -0.173 -0.140 0.296 149 T C -1.407 173.251 174.700 -0.071 0.000 1.015 149 T CA -1.139 60.929 62.100 -0.052 0.000 0.954 149 T CB 1.449 70.389 68.868 0.119 0.000 0.950 149 T HN -0.148 8.100 8.240 0.014 0.000 0.450 150 S N 4.897 120.458 115.700 -0.233 0.000 2.776 150 S HA 0.243 4.732 4.470 0.033 0.000 0.284 150 S C -2.181 172.287 174.600 -0.221 0.000 1.160 150 S CA -0.658 57.485 58.200 -0.095 0.000 1.051 150 S CB 1.291 64.456 63.200 -0.057 0.000 1.037 150 S HN 0.688 9.162 8.310 -0.415 -0.412 0.485 151 Y N 5.513 125.853 120.300 0.068 0.000 2.360 151 Y HA 0.252 4.860 4.550 0.097 0.000 0.337 151 Y C -0.939 175.011 175.900 0.085 0.000 1.039 151 Y CA -2.792 55.362 58.100 0.090 0.000 1.109 151 Y CB 1.129 39.654 38.460 0.108 0.000 1.201 151 Y HN 0.119 8.585 8.280 0.311 0.000 0.458 152 P HA 0.280 4.779 4.420 0.131 0.000 0.278 152 P C -1.607 175.823 177.300 0.217 0.000 1.266 152 P CA -1.117 62.087 63.100 0.172 0.000 0.807 152 P CB 1.938 33.710 31.700 0.120 0.000 1.094 153 D N -2.619 117.884 120.400 0.172 0.000 2.262 153 D HA -0.024 4.683 4.640 0.112 0.000 0.212 153 D C -0.667 175.784 176.300 0.252 0.000 0.964 153 D CA 1.809 55.899 54.000 0.150 0.000 0.875 153 D CB 0.863 41.719 40.800 0.094 0.000 0.996 153 D HN 0.399 8.851 8.370 0.136 0.000 0.497 154 V N -7.659 112.399 119.914 0.240 0.000 3.096 154 V HA 0.646 5.182 4.120 0.412 -0.168 0.319 154 V C -0.723 175.436 176.094 0.109 0.000 1.082 154 V CA -2.784 59.672 62.300 0.261 0.000 1.022 154 V CB 1.992 33.884 31.823 0.114 0.000 1.103 154 V HN -0.916 7.373 8.190 0.165 0.000 0.455 155 L N 1.367 122.530 121.223 -0.101 0.000 2.455 155 L HA -0.031 3.510 4.340 -1.332 0.000 0.272 155 L C -0.317 176.297 176.870 -0.427 0.000 1.174 155 L CA 0.709 55.135 54.840 -0.689 0.000 0.869 155 L CB 0.628 42.259 42.059 -0.714 0.000 1.130 155 L HN -0.112 8.347 8.230 0.090 -0.175 0.474 156 K N 5.623 125.744 120.400 -0.464 0.000 2.156 156 K HA 0.671 4.950 4.320 -0.334 -0.160 0.250 156 K C -1.131 175.212 176.600 -0.429 0.000 0.955 156 K CA -2.502 53.570 56.287 -0.358 0.000 0.855 156 K CB 2.414 34.769 32.500 -0.243 0.000 1.101 156 K HN -0.267 7.628 8.250 -0.592 0.000 0.434 157 c N -0.701 117.548 118.600 -0.586 0.000 2.707 157 c HA 0.957 5.467 4.570 -0.389 -0.173 0.313 157 c C -1.820 171.913 174.090 -0.594 0.000 1.209 157 c CA -0.743 55.200 56.329 -0.644 0.000 1.635 157 c CB 3.694 45.682 42.510 -0.871 0.000 2.206 157 c HN 0.759 8.573 8.230 -0.693 0.000 0.485 158 L N 0.122 121.206 121.223 -0.232 0.000 2.482 158 L HA 0.385 4.779 4.340 0.090 0.000 0.263 158 L C -2.482 174.458 176.870 0.117 0.000 0.957 158 L CA 0.041 54.889 54.840 0.013 0.000 0.836 158 L CB 4.487 46.569 42.059 0.039 0.000 1.324 158 L HN 0.811 8.939 8.230 -0.171 0.000 0.406 159 K N 5.783 126.315 120.400 0.220 0.000 2.185 159 K HA 0.837 5.434 4.320 0.127 -0.201 0.269 159 K C -0.996 175.732 176.600 0.213 0.000 0.987 159 K CA -1.423 54.973 56.287 0.182 0.000 0.865 159 K CB 1.267 33.879 32.500 0.187 0.000 1.090 159 K HN 0.319 8.735 8.250 0.276 0.000 0.450 160 A N 4.056 126.933 122.820 0.096 0.000 2.549 160 A HA 0.654 4.953 4.320 -0.036 0.000 0.297 160 A C -3.431 174.080 177.584 -0.122 0.000 1.061 160 A CA -2.639 49.381 52.037 -0.028 0.000 0.690 160 A CB 3.152 22.135 19.000 -0.028 0.000 1.287 160 A HN 1.003 9.075 8.150 0.047 0.106 0.402 161 P HA 0.764 5.333 4.420 -0.112 -0.216 0.284 161 P C -1.101 176.119 177.300 -0.132 0.000 1.258 161 P CA -1.470 61.534 63.100 -0.160 0.000 0.824 161 P CB 1.604 33.208 31.700 -0.160 0.000 1.038 162 I N 0.317 120.826 120.570 -0.102 0.000 2.474 162 I HA -0.000 4.320 4.170 0.048 -0.121 0.287 162 I C 0.109 176.203 176.117 -0.038 0.000 1.048 162 I CA 0.311 61.576 61.300 -0.058 0.000 1.383 162 I CB 0.433 38.309 38.000 -0.206 0.000 1.412 162 I HN 0.119 8.259 8.210 -0.116 0.000 0.531 163 L N 6.293 127.532 121.223 0.025 0.000 2.431 163 L HA 0.273 4.601 4.340 -0.020 0.000 0.260 163 L C -0.012 176.872 176.870 0.024 0.000 1.098 163 L CA -0.962 53.886 54.840 0.013 0.000 0.800 163 L CB 0.603 42.681 42.059 0.032 0.000 1.210 163 L HN 0.264 8.445 8.230 0.103 0.111 0.465 164 S N -1.652 114.057 115.700 0.014 0.000 2.603 164 S HA -0.071 4.403 4.470 0.006 0.000 0.268 164 S C 0.451 175.075 174.600 0.040 0.000 1.317 164 S CA -0.900 57.309 58.200 0.016 0.000 1.012 164 S CB 1.849 65.053 63.200 0.007 0.000 0.926 164 S HN -0.068 8.245 8.310 0.006 0.000 0.539 165 D N 1.474 121.898 120.400 0.041 0.000 2.178 165 D HA -0.230 4.459 4.640 0.082 0.000 0.201 165 D C 1.706 178.038 176.300 0.053 0.000 0.980 165 D CA 3.245 57.280 54.000 0.059 0.000 0.842 165 D CB -0.229 40.601 40.800 0.050 0.000 0.948 165 D HN 0.560 8.946 8.370 0.027 0.000 0.472 166 S N -1.190 114.531 115.700 0.036 0.000 2.383 166 S HA -0.297 4.193 4.470 0.035 0.000 0.227 166 S C 2.080 176.698 174.600 0.030 0.000 1.026 166 S CA 3.608 61.826 58.200 0.031 0.000 0.981 166 S CB -0.216 62.995 63.200 0.019 0.000 0.818 166 S HN 0.008 8.326 8.310 0.028 0.009 0.472 167 S N 3.318 119.034 115.700 0.027 0.000 2.383 167 S HA -0.234 4.241 4.470 0.008 0.000 0.227 167 S C 1.831 176.449 174.600 0.029 0.000 1.026 167 S CA 3.903 62.114 58.200 0.018 0.000 0.981 167 S CB -0.155 63.053 63.200 0.013 0.000 0.818 167 S HN -0.498 7.828 8.310 0.026 0.000 0.472 168 c N 3.448 122.085 118.600 0.062 0.000 2.436 168 c HA -0.316 4.324 4.570 0.115 0.000 0.277 168 c C 1.718 175.887 174.090 0.133 0.000 1.241 168 c CA 2.829 59.225 56.329 0.111 0.000 1.721 168 c CB -1.705 40.883 42.510 0.130 0.000 2.043 168 c HN -0.059 8.208 8.230 0.061 0.000 0.472 169 K N -1.278 119.186 120.400 0.106 0.000 2.211 169 K HA -0.313 4.100 4.320 0.155 0.000 0.203 169 K C 2.338 178.982 176.600 0.072 0.000 1.050 169 K CA 2.945 59.297 56.287 0.108 0.000 0.945 169 K CB -0.278 32.272 32.500 0.082 0.000 0.732 169 K HN 0.151 8.454 8.250 0.088 0.000 0.451 170 S N -1.481 114.241 115.700 0.036 0.000 2.428 170 S HA -0.172 4.307 4.470 0.014 0.000 0.230 170 S C 1.248 175.824 174.600 -0.040 0.000 1.014 170 S CA 2.407 60.610 58.200 0.005 0.000 0.957 170 S CB -0.139 63.059 63.200 -0.004 0.000 0.784 170 S HN -0.278 7.943 8.310 0.037 0.111 0.499 171 A N -0.205 122.564 122.820 -0.085 0.000 1.930 171 A HA -0.067 4.103 4.320 -0.250 0.000 0.215 171 A C -0.337 176.980 177.584 -0.445 0.000 1.176 171 A CA 1.868 53.725 52.037 -0.300 0.000 0.632 171 A CB 0.942 19.690 19.000 -0.421 0.000 0.819 171 A HN -0.567 7.428 8.150 -0.033 0.135 0.445 172 Y N -5.502 114.837 120.300 0.065 0.000 2.495 172 Y HA 0.478 5.101 4.550 0.123 0.000 0.362 172 Y C -2.408 173.555 175.900 0.104 0.000 0.956 172 Y CA -3.637 54.535 58.100 0.120 0.000 1.127 172 Y CB -0.259 38.321 38.460 0.200 0.000 1.173 172 Y HN -0.446 7.881 8.280 0.077 0.000 0.639 173 P HA -0.123 4.472 4.420 0.110 -0.110 0.262 173 P C 0.879 178.251 177.300 0.120 0.000 1.182 173 P CA 1.208 64.377 63.100 0.115 0.000 0.761 173 P CB 0.070 31.809 31.700 0.066 0.000 0.795 174 G N 3.922 112.782 108.800 0.100 0.000 2.189 174 G HA2 -0.371 3.625 3.960 0.060 0.000 0.267 174 G HA3 -0.371 3.623 3.960 0.057 0.000 0.267 174 G C 0.185 175.134 174.900 0.082 0.000 0.975 174 G CA 0.672 45.816 45.100 0.074 0.000 0.644 174 G HN 0.516 8.863 8.290 0.095 0.000 0.537 175 Q N -2.163 117.722 119.800 0.143 0.000 2.217 175 Q HA 0.087 4.454 4.340 0.045 0.000 0.217 175 Q C -0.603 175.520 176.000 0.204 0.000 0.844 175 Q CA -0.453 55.432 55.803 0.137 0.000 0.957 175 Q CB 1.342 30.186 28.738 0.175 0.000 1.127 175 Q HN -0.221 8.089 8.270 0.191 0.075 0.503 176 I N 0.081 120.769 120.570 0.197 0.000 2.321 176 I HA 0.056 4.364 4.170 0.230 0.000 0.291 176 I C -0.141 176.049 176.117 0.123 0.000 0.998 176 I CA -2.105 59.305 61.300 0.184 0.000 1.227 176 I CB -0.658 37.447 38.000 0.174 0.000 1.368 176 I HN -0.450 7.865 8.210 0.175 0.000 0.466 177 T N 2.518 117.140 114.554 0.114 0.000 2.910 177 T HA 0.333 4.720 4.350 0.062 0.000 0.279 177 T C 0.695 175.442 174.700 0.079 0.000 0.989 177 T CA -2.030 60.117 62.100 0.077 0.000 0.968 177 T CB 2.339 71.244 68.868 0.060 0.000 1.135 177 T HN -0.383 7.940 8.240 0.139 0.000 0.562 178 S N -2.412 113.320 115.700 0.054 0.000 2.603 178 S HA -0.163 4.345 4.470 0.064 0.000 0.229 178 S C -0.077 174.560 174.600 0.062 0.000 0.972 178 S CA 1.555 59.785 58.200 0.050 0.000 0.935 178 S CB -0.216 62.994 63.200 0.017 0.000 0.769 178 S HN 0.235 8.567 8.310 0.037 0.000 0.536 179 N N 0.264 119.014 118.700 0.083 0.000 2.238 179 N HA 0.147 4.949 4.740 0.102 0.000 0.222 179 N C -1.812 173.811 175.510 0.190 0.000 1.133 179 N CA -0.375 52.755 53.050 0.132 0.000 0.854 179 N CB 0.949 39.534 38.487 0.163 0.000 1.041 179 N HN -0.555 7.782 8.380 0.081 0.092 0.510 180 M N -1.343 118.356 119.600 0.164 0.000 2.593 180 M HA 0.904 5.661 4.480 0.083 -0.226 0.290 180 M C -2.417 173.997 176.300 0.190 0.000 1.244 180 M CA -0.442 54.932 55.300 0.123 0.000 0.857 180 M CB 5.228 37.880 32.600 0.087 0.000 1.738 180 M HN -0.757 7.532 8.290 0.147 0.089 0.461 181 F N -6.261 113.735 119.950 0.078 0.000 2.668 181 F HA 0.615 5.175 4.527 0.055 0.000 0.309 181 F C -2.782 173.075 175.800 0.095 0.000 1.117 181 F CA -1.564 56.479 58.000 0.072 0.000 0.951 181 F CB 2.324 41.361 39.000 0.062 0.000 1.323 181 F HN 0.207 8.365 8.300 -0.236 0.000 0.451 182 c N -0.098 118.681 118.600 0.299 0.000 2.391 182 c HA 1.027 5.872 4.570 0.107 -0.212 0.339 182 c C -0.984 173.312 174.090 0.343 0.000 1.205 182 c CA -1.012 55.444 56.329 0.211 0.000 1.937 182 c CB 2.718 45.315 42.510 0.145 0.000 2.341 182 c HN 0.900 9.335 8.230 0.341 0.000 0.516 183 A N 2.800 125.796 122.820 0.294 0.000 2.476 183 A HA 0.692 5.217 4.320 0.078 -0.158 0.280 183 A C -2.273 175.358 177.584 0.077 0.000 1.081 183 A CA -0.449 51.667 52.037 0.133 0.000 0.753 183 A CB 2.710 21.692 19.000 -0.030 0.000 1.248 183 A HN 0.455 8.812 8.150 0.345 0.000 0.424 184 Y N 2.743 123.075 120.300 0.054 0.000 2.365 184 Y HA 0.046 4.616 4.550 0.033 0.000 0.340 184 Y C 1.029 176.946 175.900 0.028 0.000 1.016 184 Y CA -0.102 58.020 58.100 0.036 0.000 1.196 184 Y CB 0.637 39.117 38.460 0.032 0.000 1.167 184 Y HN 0.321 8.740 8.280 0.232 0.000 0.509 185 L N 3.912 125.210 121.223 0.125 0.000 2.376 185 L HA -0.278 4.094 4.340 0.053 0.000 0.219 185 L C 1.002 177.916 176.870 0.073 0.000 1.133 185 L CA 2.044 56.926 54.840 0.070 0.000 0.816 185 L CB -0.384 41.695 42.059 0.033 0.000 0.933 185 L HN 0.532 8.822 8.230 0.100 0.000 0.449 186 E N -2.191 118.071 120.200 0.104 0.000 2.427 186 E HA -0.107 4.270 4.350 0.045 0.000 0.196 186 E C 0.742 177.376 176.600 0.056 0.000 1.028 186 E CA 0.136 56.576 56.400 0.066 0.000 0.864 186 E CB -0.486 29.249 29.700 0.058 0.000 0.813 186 E HN 0.086 8.495 8.360 0.155 0.043 0.514 187 G N 0.776 109.627 108.800 0.084 0.000 3.405 187 G HA2 -0.385 3.652 3.960 0.081 0.000 0.676 187 G HA3 -0.385 3.619 3.960 0.042 -0.019 0.676 187 G C -0.804 174.116 174.900 0.034 0.000 1.039 187 G CA -0.163 44.974 45.100 0.063 0.000 0.855 187 G HN -0.600 7.601 8.290 0.129 0.167 0.443 188 K N 1.342 121.737 120.400 -0.008 0.000 7.012 188 K HA -0.606 3.866 4.320 0.004 -0.150 0.677 188 K C -1.323 175.368 176.600 0.151 0.000 2.516 188 K CA 0.517 56.814 56.287 0.016 0.000 1.841 188 K CB -0.070 32.339 32.500 -0.152 0.000 1.900 188 K HN 0.179 8.449 8.250 0.033 0.000 0.293 189 D N 0.314 120.789 120.400 0.125 0.000 2.764 189 D HA 0.295 5.058 4.640 0.204 0.000 0.293 189 D C -1.897 174.472 176.300 0.114 0.000 1.287 189 D CA -0.534 53.555 54.000 0.149 0.000 0.768 189 D CB 4.360 45.231 40.800 0.118 0.000 1.288 189 D HN 0.211 8.630 8.370 0.081 0.000 0.426 190 S N -1.574 114.207 115.700 0.136 0.000 2.707 190 S HA 0.364 4.950 4.470 0.088 -0.063 0.276 190 S C -1.365 173.279 174.600 0.074 0.000 1.179 190 S CA -0.526 57.743 58.200 0.114 0.000 0.992 190 S CB 1.753 65.060 63.200 0.178 0.000 1.030 190 S HN 0.257 8.669 8.310 0.169 0.000 0.554 191 c N -1.879 116.767 118.600 0.076 0.000 3.293 191 c HA 0.231 4.839 4.570 0.064 0.000 0.362 191 c C -1.577 172.584 174.090 0.119 0.000 1.539 191 c CA -0.496 55.877 56.329 0.073 0.000 1.201 191 c CB 2.903 45.437 42.510 0.040 0.000 1.770 191 c HN 0.262 8.827 8.230 0.090 -0.281 0.440 192 Q N 1.898 121.779 119.800 0.135 0.000 2.283 192 Q HA -0.378 4.088 4.340 0.210 0.000 0.301 192 Q C 0.970 177.146 176.000 0.294 0.000 1.063 192 Q CA 2.155 58.083 55.803 0.209 0.000 0.952 192 Q CB 0.570 29.436 28.738 0.212 0.000 1.166 192 Q HN 0.488 8.820 8.270 0.104 0.000 0.381 193 G N 6.368 115.355 108.800 0.312 0.000 2.284 193 G HA2 -0.427 3.732 3.960 0.332 0.000 0.216 193 G HA3 -0.427 3.857 3.960 0.540 0.000 0.216 193 G C 0.494 175.619 174.900 0.374 0.000 1.009 193 G CA 0.921 46.261 45.100 0.400 0.000 0.625 193 G HN 0.369 8.821 8.290 0.270 0.000 0.501 194 D N 2.372 122.929 120.400 0.261 0.000 2.333 194 D HA 0.087 4.869 4.640 0.236 0.000 0.208 194 D C 0.112 176.508 176.300 0.159 0.000 0.984 194 D CA 1.013 55.134 54.000 0.202 0.000 0.873 194 D CB 0.592 41.477 40.800 0.142 0.000 0.935 194 D HN 0.108 8.516 8.370 0.232 0.101 0.521 195 S N -0.668 115.122 115.700 0.151 0.000 2.599 195 S HA -0.591 4.105 4.470 0.111 -0.159 0.303 195 S C 1.048 175.653 174.600 0.009 0.000 1.267 195 S CA 2.188 60.447 58.200 0.099 0.000 1.055 195 S CB -0.110 63.177 63.200 0.144 0.000 0.790 195 S HN -0.592 7.793 8.310 0.184 0.036 0.500 196 G N 4.635 113.427 108.800 -0.012 0.000 2.253 196 G HA2 -0.460 3.550 3.960 -0.036 0.000 0.251 196 G HA3 -0.460 3.572 3.960 -0.062 -0.110 0.251 196 G C -0.104 174.826 174.900 0.050 0.000 0.998 196 G CA 0.216 45.303 45.100 -0.021 0.000 0.621 196 G HN 0.895 9.090 8.290 0.014 0.103 0.524 197 G N 0.929 109.782 108.800 0.089 0.000 2.621 197 G HA2 0.368 4.470 3.960 0.120 0.000 0.271 197 G HA3 0.368 4.400 3.960 0.119 0.000 0.271 197 G C -2.671 172.309 174.900 0.134 0.000 1.236 197 G CA -1.984 43.187 45.100 0.117 0.000 0.958 197 G HN -0.195 7.970 8.290 0.094 0.181 0.512 198 P HA 0.338 4.955 4.420 0.126 -0.122 0.281 198 P C -1.604 175.763 177.300 0.111 0.000 1.249 198 P CA -0.843 62.347 63.100 0.149 0.000 0.810 198 P CB 1.554 33.404 31.700 0.249 0.000 1.008 199 V N 2.405 122.364 119.914 0.075 0.000 2.419 199 V HA 0.260 4.539 4.120 -0.007 -0.162 0.287 199 V C -1.346 174.758 176.094 0.018 0.000 1.017 199 V CA -0.409 61.901 62.300 0.016 0.000 0.844 199 V CB 1.812 33.623 31.823 -0.020 0.000 1.011 199 V HN -0.219 8.019 8.190 0.079 0.000 0.429 200 V N 7.951 127.867 119.914 0.003 0.000 2.459 200 V HA 0.624 4.896 4.120 -0.068 -0.193 0.295 200 V C -1.355 174.720 176.094 -0.032 0.000 1.029 200 V CA -1.265 61.009 62.300 -0.043 0.000 0.874 200 V CB 2.857 34.637 31.823 -0.072 0.000 0.985 200 V HN 0.627 8.833 8.190 0.026 0.000 0.438 201 c N 7.484 126.053 118.600 -0.052 0.000 2.431 201 c HA 0.565 5.112 4.570 -0.038 0.000 0.321 201 c C 0.158 174.218 174.090 -0.050 0.000 1.202 201 c CA -1.189 55.108 56.329 -0.053 0.000 1.398 201 c CB 1.887 44.345 42.510 -0.086 0.000 2.047 201 c HN 0.771 8.963 8.230 -0.063 0.000 0.465 202 S N 5.518 121.198 115.700 -0.034 0.000 3.549 202 S HA -0.343 4.117 4.470 -0.017 0.000 0.366 202 S C 0.343 174.925 174.600 -0.031 0.000 1.012 202 S CA 1.016 59.199 58.200 -0.028 0.000 1.141 202 S CB -1.189 61.991 63.200 -0.034 0.000 0.910 202 S HN 1.121 9.416 8.310 -0.026 0.000 0.471 203 G N -5.333 103.447 108.800 -0.033 0.000 2.155 203 G HA2 -0.361 3.569 3.960 -0.049 0.000 0.257 203 G HA3 -0.361 3.581 3.960 -0.031 0.000 0.257 203 G C -0.755 174.096 174.900 -0.081 0.000 0.983 203 G CA 0.472 45.543 45.100 -0.048 0.000 0.676 203 G HN 0.318 8.585 8.290 -0.024 0.008 0.528 210 Q N 1.151 120.970 119.800 0.033 0.000 2.392 210 Q HA 0.190 4.569 4.340 0.065 0.000 0.219 210 Q C -0.205 175.957 176.000 0.270 0.000 0.895 210 Q CA 0.211 56.059 55.803 0.075 0.000 0.929 210 Q CB 2.611 31.314 28.738 -0.059 0.000 1.077 210 Q HN 0.395 8.673 8.270 0.014 0.000 0.532 211 G N -3.172 105.800 108.800 0.286 0.000 2.694 211 G HA2 0.616 5.062 3.960 0.393 0.000 0.290 211 G HA3 0.616 4.832 3.960 0.426 0.000 0.290 211 G C -3.248 171.768 174.900 0.194 0.000 1.386 211 G CA -0.733 44.574 45.100 0.344 0.000 0.872 211 G HN -0.350 8.044 8.290 0.173 0.000 0.475 212 I N -1.292 119.386 120.570 0.180 0.000 2.498 212 I HA 0.568 5.050 4.170 0.150 -0.222 0.290 212 I C -0.455 175.781 176.117 0.198 0.000 1.032 212 I CA -1.379 60.011 61.300 0.150 0.000 1.073 212 I CB 4.259 42.307 38.000 0.079 0.000 1.251 212 I HN -0.398 7.908 8.210 0.160 0.000 0.426 213 V N 7.179 127.225 119.914 0.221 0.000 2.493 213 V HA -0.211 3.981 4.120 0.120 0.000 0.292 213 V C -1.202 174.899 176.094 0.013 0.000 1.016 213 V CA 2.106 64.490 62.300 0.141 0.000 1.097 213 V CB -0.950 30.977 31.823 0.173 0.000 0.947 213 V HN 0.466 8.771 8.190 0.192 0.000 0.479 214 S N 7.321 122.931 115.700 -0.150 0.000 3.200 214 S HA 0.420 5.053 4.470 0.272 0.000 0.209 214 S C -1.359 173.340 174.600 0.164 0.000 0.869 214 S CA 1.061 59.316 58.200 0.093 0.000 0.820 214 S CB 2.171 65.424 63.200 0.089 0.000 0.834 214 S HN -0.101 7.906 8.310 -0.506 0.000 0.622 215 W N -3.987 117.165 121.300 -0.247 0.000 3.003 215 W HA 0.297 4.863 4.660 -0.156 0.000 0.362 215 W C -2.720 173.632 176.519 -0.280 0.000 1.213 215 W CA -0.838 56.371 57.345 -0.227 0.000 1.157 215 W CB 1.592 30.913 29.460 -0.232 0.000 1.493 215 W HN -0.267 7.588 8.180 -0.541 0.000 0.589 216 G N -3.280 105.557 108.800 0.061 0.000 0.000 216 G HA2 0.113 3.780 3.960 -0.489 0.000 0.000 216 G HA3 0.113 3.999 3.960 -0.124 0.000 0.000 216 G C -2.322 172.707 174.900 0.214 0.000 0.000 216 G CA 0.253 45.295 45.100 -0.097 0.000 0.000 216 G HN -0.038 8.469 8.290 0.362 0.000 0.000 220 c N 1.882 120.518 118.600 0.060 0.000 3.471 220 c HA 0.303 5.047 4.570 0.059 -0.138 0.191 220 c C -1.414 172.706 174.090 0.049 0.000 1.480 220 c CA -1.024 55.337 56.329 0.053 0.000 1.281 220 c CB -1.397 41.136 42.510 0.039 0.000 1.898 220 c HN 0.310 8.572 8.230 0.053 0.000 0.533 221 Q N -1.971 117.861 119.800 0.054 0.000 2.889 221 Q HA 0.107 4.467 4.340 0.034 0.000 0.262 221 Q C -1.455 174.567 176.000 0.037 0.000 0.966 221 Q CA -0.903 54.925 55.803 0.041 0.000 0.858 221 Q CB 2.129 30.893 28.738 0.043 0.000 1.845 221 Q HN -0.035 8.273 8.270 0.064 0.000 0.464 222 K N 3.629 124.044 120.400 0.025 0.000 2.448 222 K HA -0.244 4.218 4.320 0.031 -0.123 0.278 222 K C 0.208 176.806 176.600 -0.003 0.000 1.009 222 K CA 0.673 56.971 56.287 0.018 0.000 0.995 222 K CB -0.000 32.508 32.500 0.013 0.000 0.917 222 K HN 0.259 8.522 8.250 0.022 0.000 0.481 223 N N 2.408 121.102 118.700 -0.010 0.000 2.713 223 N HA -0.475 4.240 4.740 -0.043 0.000 0.251 223 N C -1.674 173.761 175.510 -0.126 0.000 1.117 223 N CA 1.781 54.798 53.050 -0.055 0.000 0.770 223 N CB -0.455 37.995 38.487 -0.062 0.000 1.137 223 N HN 0.765 9.030 8.380 0.012 0.122 0.566 224 K N -2.467 117.889 120.400 -0.073 0.000 2.842 224 K HA 0.544 4.656 4.320 -0.347 0.000 0.176 224 K C -2.392 174.254 176.600 0.076 0.000 1.080 224 K CA -3.455 52.783 56.287 -0.081 0.000 0.954 224 K CB -0.124 32.389 32.500 0.020 0.000 1.203 224 K HN -0.745 7.442 8.250 -0.013 0.055 0.611 225 P HA -0.048 4.436 4.420 0.106 0.000 0.274 225 P C -0.509 176.843 177.300 0.087 0.000 1.260 225 P CA -0.398 62.770 63.100 0.114 0.000 0.793 225 P CB 1.146 32.903 31.700 0.095 0.000 1.048 226 G N -2.407 106.415 108.800 0.036 0.000 2.476 226 G HA2 0.338 4.083 3.960 -0.359 0.000 0.269 226 G HA3 0.338 4.169 3.960 -0.215 0.000 0.269 226 G C -1.833 172.766 174.900 -0.501 0.000 1.195 226 G CA -0.730 44.212 45.100 -0.264 0.000 0.843 226 G HN -0.382 7.990 8.290 0.137 0.000 0.545 227 V N 2.064 121.333 119.914 -1.075 0.000 2.495 227 V HA 0.674 4.591 4.120 -0.642 -0.181 0.298 227 V C -0.983 174.356 176.094 -1.258 0.000 1.031 227 V CA -1.075 60.565 62.300 -1.099 0.000 0.871 227 V CB 2.167 32.923 31.823 -1.778 0.000 0.988 227 V HN 0.465 7.960 8.190 -1.159 0.000 0.432 228 Y N 5.028 124.917 120.300 -0.685 0.000 2.485 228 Y HA 0.576 5.030 4.550 -0.389 -0.137 0.345 228 Y C 0.254 175.859 175.900 -0.491 0.000 0.998 228 Y CA -2.299 55.405 58.100 -0.660 0.000 1.059 228 Y CB 3.768 41.555 38.460 -1.122 0.000 1.234 228 Y HN 1.036 8.949 8.280 -0.612 0.000 0.461 229 T N 4.799 119.307 114.554 -0.075 0.000 2.851 229 T HA 0.036 4.598 4.350 0.090 -0.159 0.298 229 T C -0.661 174.157 174.700 0.198 0.000 0.977 229 T CA 1.401 63.541 62.100 0.066 0.000 1.126 229 T CB 0.483 69.374 68.868 0.038 0.000 0.916 229 T HN 0.400 8.624 8.240 -0.026 0.000 0.529 230 K N 8.453 129.054 120.400 0.336 0.000 2.171 230 K HA 0.087 4.812 4.320 0.675 0.000 0.274 230 K C 1.018 177.871 176.600 0.421 0.000 1.110 230 K CA -0.496 56.072 56.287 0.467 0.000 0.952 230 K CB -0.371 32.359 32.500 0.383 0.000 1.309 230 K HN 0.195 8.523 8.250 0.305 0.105 0.414 231 V N 5.987 126.127 119.914 0.378 0.000 2.469 231 V HA -0.537 3.871 4.120 0.480 0.000 0.251 231 V C 1.471 177.729 176.094 0.274 0.000 1.064 231 V CA 3.910 66.419 62.300 0.349 0.000 1.066 231 V CB -0.329 31.628 31.823 0.223 0.000 0.667 231 V HN 0.243 8.665 8.190 0.387 0.000 0.461 232 c N -3.471 115.228 118.600 0.164 0.000 2.409 232 c HA -0.230 4.387 4.570 0.079 0.000 0.284 232 c C 1.733 175.846 174.090 0.038 0.000 1.354 232 c CA 1.745 58.122 56.329 0.080 0.000 1.787 232 c CB -2.130 40.398 42.510 0.029 0.000 1.900 232 c HN 0.477 8.787 8.230 0.164 0.018 0.520 233 N N 0.936 119.629 118.700 -0.011 0.000 2.494 233 N HA -0.103 4.539 4.740 -0.163 0.000 0.182 233 N C 0.400 175.670 175.510 -0.400 0.000 1.076 233 N CA 1.347 54.244 53.050 -0.255 0.000 0.908 233 N CB -0.157 38.043 38.487 -0.478 0.000 0.967 233 N HN -0.325 8.058 8.380 0.075 0.042 0.449 234 Y N -4.748 115.619 120.300 0.112 0.000 2.481 234 Y HA 0.151 4.837 4.550 0.226 0.000 0.247 234 Y C 0.152 176.191 175.900 0.231 0.000 1.151 234 Y CA -0.478 57.746 58.100 0.206 0.000 1.238 234 Y CB -0.029 38.574 38.460 0.238 0.000 1.179 234 Y HN -0.174 8.038 8.280 0.198 0.187 0.524 235 V N 0.948 121.003 119.914 0.235 0.000 2.332 235 V HA -0.575 3.641 4.120 0.160 0.000 0.248 235 V C 1.406 177.572 176.094 0.120 0.000 1.055 235 V CA 4.962 67.354 62.300 0.153 0.000 1.038 235 V CB -0.613 31.260 31.823 0.085 0.000 0.651 235 V HN -0.798 7.494 8.190 0.169 0.000 0.450 236 S N -0.332 115.440 115.700 0.120 0.000 2.383 236 S HA -0.310 4.181 4.470 0.035 0.000 0.227 236 S C 1.755 176.424 174.600 0.114 0.000 1.026 236 S CA 3.108 61.359 58.200 0.084 0.000 0.981 236 S CB -0.431 62.816 63.200 0.078 0.000 0.818 236 S HN 0.110 8.491 8.310 0.117 0.000 0.472 237 W N 4.338 125.675 121.300 0.062 0.000 2.354 237 W HA -0.186 4.503 4.660 0.048 0.000 0.315 237 W C 1.380 177.915 176.519 0.026 0.000 1.206 237 W CA 3.134 60.528 57.345 0.082 0.000 1.290 237 W CB -0.073 29.523 29.460 0.227 0.000 1.152 237 W HN -0.420 7.970 8.180 0.370 0.011 0.489 238 I N -1.135 119.433 120.570 -0.002 0.000 2.127 238 I HA -0.769 2.986 4.170 -0.691 0.000 0.241 238 I C 1.930 177.812 176.117 -0.392 0.000 1.075 238 I CA 4.574 65.684 61.300 -0.317 0.000 1.334 238 I CB -0.259 37.717 38.000 -0.039 0.000 1.040 238 I HN 0.399 8.815 8.210 0.343 0.000 0.405 239 K N -0.956 119.316 120.400 -0.214 0.000 2.032 239 K HA -0.444 3.729 4.320 -0.246 0.000 0.209 239 K C 2.798 179.248 176.600 -0.249 0.000 1.048 239 K CA 3.816 59.977 56.287 -0.210 0.000 0.927 239 K CB -0.377 32.060 32.500 -0.105 0.000 0.712 239 K HN -0.126 8.065 8.250 -0.098 0.000 0.441 240 Q N -2.163 117.503 119.800 -0.224 0.000 2.079 240 Q HA -0.282 3.966 4.340 -0.153 0.000 0.200 240 Q C 2.677 178.493 176.000 -0.307 0.000 0.974 240 Q CA 3.336 59.017 55.803 -0.204 0.000 0.840 240 Q CB 0.055 28.719 28.738 -0.123 0.000 0.898 240 Q HN 0.238 8.291 8.270 -0.180 0.108 0.430 241 T N 2.707 116.952 114.554 -0.515 0.000 2.777 241 T HA -0.267 3.845 4.350 -0.397 0.000 0.266 241 T C 2.244 176.623 174.700 -0.534 0.000 1.040 241 T CA 4.962 66.716 62.100 -0.578 0.000 1.141 241 T CB -0.146 68.110 68.868 -1.020 0.000 0.868 241 T HN 0.108 7.868 8.240 -0.623 0.106 0.444 242 I N 0.879 121.025 120.570 -0.707 0.000 2.226 242 I HA -0.445 2.979 4.170 -1.244 0.000 0.245 242 I C 1.795 177.695 176.117 -0.361 0.000 1.100 242 I CA 3.750 64.530 61.300 -0.867 0.000 1.374 242 I CB -0.375 37.020 38.000 -1.008 0.000 1.057 242 I HN 0.205 7.997 8.210 -0.697 0.000 0.413 243 A N -0.692 121.966 122.820 -0.271 0.000 2.019 243 A HA -0.195 4.067 4.320 -0.096 0.000 0.219 243 A C 1.193 178.732 177.584 -0.077 0.000 1.164 243 A CA 2.705 54.662 52.037 -0.133 0.000 0.644 243 A CB -0.485 18.445 19.000 -0.116 0.000 0.805 243 A HN 0.059 8.018 8.150 -0.319 0.000 0.449 244 S N -4.674 110.970 115.700 -0.093 0.000 2.557 244 S HA 0.110 4.569 4.470 -0.018 0.000 0.223 244 S C -0.769 173.841 174.600 0.017 0.000 0.969 244 S CA 0.522 58.701 58.200 -0.036 0.000 0.927 244 S CB 1.015 64.185 63.200 -0.050 0.000 0.806 244 S HN -0.381 7.701 8.310 -0.160 0.133 0.489 245 N N 0.000 118.740 118.700 0.067 0.000 1.763 245 N HA 0.000 4.817 4.740 0.128 0.000 0.220 245 N CA 0.000 53.166 53.050 0.193 0.000 0.885 245 N CB 0.000 38.677 38.487 0.317 0.000 1.341 245 N HN 0.000 8.232 8.380 0.032 0.167 0.667